Basic information
- CAS
37794-28-8- Standard SMILES
COC(=O)C12C3C4C1C1C2C3C41Br- InChIKey
AYRUWJVGHGZOKB-UHFFFAOYSA-N- Molecular formula
- C10H9BrO2
- Average molar mass
- 241.08 g/mol
- Monoisotopic mass
- 239.97859
Names & identifiers
- Preferred name
- Methyl 8-bromocubane-1-carboxylate
- IUPAC
- methyl 4-bromocubane-1-carboxylate
- English name
- Methyl (1S,2R,3R,8S)-4-bromocubane-1-carboxylate
- Molecular formula
- C10H9BrO2
- Molecular weight
- 241.08
Names & synonyms
37794-28-8methyl 8-bromocubane-1-carboxylateRefChem:817550959-508-4methyl 4-bromocubane-1-carboxylateMethyl (1S,2R,3R,8S)-4-bromocubane-1-carboxylateMFCD01830725Methyl 4-bromo-1-cubanecarboxylatemethyl 4-bromocubanecarboxylateMethyl 4-bromo-1-cubanecarboxylate #BS-43270CS-0092222
Show more names
Methyl 4-bromopentacyclo[4.2.0.02,5.03,8.04,7]octane-1-carboxylatePentacyclo[4.2.0.02,5.03,8.04,7]octane-1-carboxylic acid, 4-bromo-, methyl ester
(1R,2R,3R,4S,5R,6S,7S,8S)-methyl 4-bromocubane-1-carboxylateSCHEMBL27712507AYRUWJVGHGZOKB-UHFFFAOYSA-NMBA79428SBB099374SY225058Cubanecarboxylic acid, 6-bromo-, methyl esterD79188
Database identifiers
- CAS
37794-28-8- PubChem CID
- 568323
- EC Number
- 959-508-4
- Nikkaji
- J714.070C
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 329
Physicochemical properties
- Boiling point
- 263.9 · 263.9±40.0 °C(Predicted)
- Density
- 2.242 · 2.242±0.06 g/cm3(Predicted)
- storage temp.
- 0 · Store at 0-8 °C
- Appearance
- light yellow solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501
- HS Code
- 2916200090 · 2916200090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- hs_code
- 2916200090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501
Chemistry & industry
Suppliers12 total
韶远科技(上海)有限公司4000665055 · [email protected]
天津瑞德法莫科技有限公司13821803402 · [email protected]
Aladdin Scientific[email protected]
安庆融创生物科技有限公司15001988657 · [email protected]
Chongqing jooe co., ltd+86-15223382610 · [email protected]
天津凯慕化学科技有限公司13116033142 13116033142 · [email protected]
陕西爱施达尔生物科技有限公司18682931470; 18682931470 · [email protected]
上海凯为化学科技有限公司021-58461859 15821823057 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Jilin Chinese Academy of Sciences-yanshen Technology18143011203 · [email protected]
江苏艾康生物医药研发有限公司17714375163 · [email protected]
南京药石科技股份有限公司4000255188 13327728092 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…